N-[3-(3-chloranyl-4-cyclohexyl-phenyl)prop-2-ynyl]-N-ethyl-adamantan-1-amine hydrochloride

Systemtic Name: N-[3-(3-chloranyl-4-cyclohexyl-phenyl)prop-2-ynyl]-N-ethyl-adamantan-1-amine hydrochloride Openeye Name: N-[3-(3-chloro-4-cyclohexyl-phenyl)prop-2-ynyl]-N-ethyl-adamantan-1-amine hydrochloride CAS Name: N-[3-(3-chloro-4-cyclohexylphenyl)prop-2-ynyl]-N-ethyl-1-adamantanamine hydrochloride IUPAC Name: N-[3-(3-chloro-4-cyclohexylphenyl)prop-2-ynyl]-N-ethyladamantan-1-amine hydrochloride Traditional Name: 1-adamantyl-[3-(3-chloro-4-cyclohexyl-phenyl)prop-2-ynyl]-ethyl-amine hydrochloride Formula: C27H37Cl2N MolecularWeight: 446.49538

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC#CC1=CC(=C(C=C1)C2CCCCC2)Cl)C34CC5CC(C3)CC(C5)C4.Cl

Isomeric SMILES

CCN(CC#CC1=CC(=C(C=C1)C2CCCCC2)Cl)C34CC5CC(C3)CC(C5)C4.Cl

InChI

InChI=1S/C27H36ClN.ClH/c1-2-29(27-17-21-13-22(18-27)15-23(14-21)19-27)12-6-7-20-10-11-25(26(28)16-20)24-8-4-3-5-9-24;/h10-11,16,21-24H,2-5,8-9,12-15,17-19H2,1H3;1H